#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3g n ASP 2 N 0.00 -8.05 -0.37 6.12 -0.08 -1.26 -3.88 116.55 109.03 1u3g n ASP 2 Ca 0.00 1.76 0.30 0.00 -1.51 0.00 0.00 54.79 55.34 1u3g n ASP 2 Cb 0.00 -4.81 0.60 0.00 2.34 0.00 0.00 41.12 39.24 1u3g n ASP 2 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1u3g h LYS 3 N 4.29 0.22 -0.18 -0.67 1.57 -1.94 -1.24 116.57 118.61 1u3g h LYS 3 Ca -0.03 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 1u3g h LYS 3 Cb 0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1u3g h LYS 3 CO 0.00 0.15 -0.28 -0.91 -0.57 0.00 0.00 179.45 177.83 1u3g h ASN 4 N 0.23 0.56 -0.53 0.86 4.21 -2.00 -2.14 115.58 116.77 1u3g h ASN 4 Ca 0.68 -0.52 -0.06 0.00 1.21 0.00 0.00 56.30 57.60 1u3g h ASN 4 Cb 2.03 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 39.05 1u3g h ASN 4 CO -0.30 0.98 0.08 0.00 -1.29 0.00 0.00 177.43 176.90 1u3g h ALA 5 N 0.60 0.70 0.00 -0.83 0.00 -1.45 -2.36 119.26 115.93 1u3g h ALA 5 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u3g h ALA 5 Cb 0.86 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1u3g h ALA 5 CO 0.06 0.45 0.00 1.25 0.00 0.00 0.00 179.25 181.01 1u3g h LEU 6 N 0.76 0.00 0.16 0.00 5.85 -1.41 -2.46 115.31 118.22 1u3g h LEU 6 Ca 0.16 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 1u3g h LEU 6 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1u3g h LEU 6 CO 0.01 0.00 -0.08 0.03 -0.34 0.00 0.00 178.44 178.06 1u3g h ARG 7 N 0.00 -0.21 -0.71 1.25 3.08 -0.86 -2.83 114.38 114.10 1u3g h ARG 7 Ca 0.00 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.22 1u3g h ARG 7 Cb 0.42 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.41 1u3g h ARG 7 CO 0.00 -0.10 0.08 0.87 -1.07 0.00 0.00 179.97 179.75 1u3g h LYS 8 N -1.05 0.17 0.63 0.04 1.57 -1.45 0.33 116.57 116.82 1u3g h LYS 8 Ca -0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1u3g h LYS 8 Cb 0.21 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1u3g h LYS 8 CO 0.04 0.11 -0.39 1.96 -0.57 0.00 0.00 179.45 180.60 1u3g h GLN 9 N 0.18 -0.93 -0.35 3.15 4.20 -1.55 -0.72 115.11 119.08 1u3g h GLN 9 Ca 0.39 0.06 -0.04 0.00 0.06 0.00 0.00 58.65 59.12 1u3g h GLN 9 Cb 0.67 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1u3g h GLN 9 CO -0.56 -0.62 0.05 0.82 -0.67 0.00 0.00 178.83 177.85 1u3g h ILE 10 N -0.97 1.24 -0.99 2.54 2.04 -1.17 -1.53 117.51 118.67 1u3g h ILE 10 Ca -0.08 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.01 1u3g h ILE 10 Cb 0.78 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 1u3g h ILE 10 CO 0.08 0.29 0.63 0.25 0.00 0.00 0.00 178.15 179.40 1u3g h LEU 11 N 0.42 0.98 -0.29 1.44 5.85 -0.36 -0.25 115.31 123.11 1u3g h LEU 11 Ca 0.11 0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 1u3g h LEU 11 Cb 0.37 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1u3g h LEU 11 CO 0.01 0.60 -0.74 -0.61 -0.34 0.00 0.00 178.44 177.36 1u3g h GLN 12 N 1.10 0.62 -0.13 1.25 4.15 -0.92 -1.87 115.11 119.30 1u3g h GLN 12 Ca 0.44 -0.50 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 1u3g h GLN 12 Cb 0.26 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1u3g h GLN 12 CO -0.19 1.12 -0.28 -0.22 -1.93 0.00 0.00 178.83 177.33 1u3g h LYS 13 N 0.43 0.24 -0.00 1.69 3.64 -0.63 -2.48 116.57 119.46 1u3g h LYS 13 Ca -0.04 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1u3g h LYS 13 Cb 1.34 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1u3g h LYS 13 CO 0.14 0.50 -0.81 -0.09 -2.27 0.00 0.00 179.45 176.93 1u3g h ARG 14 N 0.21 0.09 0.00 1.90 2.43 -0.93 -3.13 114.38 114.95 1u3g h ARG 14 Ca 0.03 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1u3g h ARG 14 Cb 0.61 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1u3g h ARG 14 CO 0.04 0.85 -0.14 1.98 -1.51 0.00 0.00 179.97 181.19 1u3g h MET 15 N 0.05 0.00 -0.33 0.20 4.05 -0.99 -2.97 114.93 114.94 1u3g h MET 15 Ca -0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1u3g h MET 15 Cb 1.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.21 1u3g h MET 15 CO 0.11 0.14 0.00 0.00 0.23 0.00 0.00 176.91 177.40 1u3g n ALA 16 N -2.15 2.45 -2.28 0.39 0.00 -0.96 -4.93 120.51 113.02 1u3g n ALA 16 Ca 0.02 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1u3g n ALA 16 Cb 0.46 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1u3g n ALA 16 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u3g s LEU 17 N -1.04 4.41 0.26 0.00 0.20 -1.13 -5.01 118.68 116.38 1u3g s LEU 17 Ca 0.23 2.05 -0.30 0.00 0.69 0.00 0.00 54.13 56.81 1u3g s LEU 17 Cb 0.12 -3.59 -0.09 0.00 -0.43 0.00 0.00 46.19 42.20 1u3g s LEU 17 CO 0.16 -0.38 1.08 -0.94 -0.29 0.00 0.00 176.35 175.98 1u3g s SER 18 N 0.61 7.31 0.28 3.68 1.04 -1.26 -4.85 113.70 120.50 1u3g s SER 18 Ca 0.55 2.21 -0.02 0.00 0.48 0.00 0.00 55.95 59.17 1u3g s SER 18 Cb -0.30 -2.62 0.62 0.00 0.10 0.00 0.00 66.02 63.82 1u3g s SER 18 CO 0.32 -0.13 1.61 0.74 0.98 0.00 0.00 173.24 176.76 1u3g h THR 19 N 3.21 0.20 -0.58 2.02 2.02 -1.99 -0.01 112.91 117.78 1u3g h THR 19 Ca -0.46 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 1u3g h THR 19 Cb 1.21 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1u3g h THR 19 CO 0.68 0.02 0.28 0.40 0.37 0.00 0.00 175.52 177.27 1u3g h ILE 20 N 0.09 1.21 0.05 3.11 1.08 -1.98 -0.08 117.51 120.97 1u3g h ILE 20 Ca 0.52 -0.57 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1u3g h ILE 20 Cb 1.00 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1u3g h ILE 20 CO -0.77 0.23 -0.02 -0.33 -0.69 0.00 0.00 178.15 176.57 1u3g h GLU 21 N 0.79 -0.06 -0.56 2.37 5.08 -1.46 -0.90 114.58 119.83 1u3g h GLU 21 Ca 0.20 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.68 1u3g h GLU 21 Cb 0.11 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.26 1u3g h GLU 21 CO -0.03 0.31 -0.17 -0.22 -1.00 0.00 0.00 179.01 177.90 1u3g h LYS 22 N -0.44 -0.04 -0.76 2.33 3.64 -1.03 0.44 116.57 120.71 1u3g h LYS 22 Ca -0.01 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.47 1u3g h LYS 22 Cb 0.40 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 1u3g h LYS 22 CO 0.01 -0.02 0.41 1.03 -2.27 0.00 0.00 179.45 178.60 1u3g h SER 23 N -0.04 0.56 0.42 4.20 0.87 -0.89 0.21 113.55 118.88 1u3g h SER 23 Ca 0.27 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.76 1u3g h SER 23 Cb 0.45 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1u3g h SER 23 CO -0.60 0.32 -0.51 -0.74 -0.53 0.00 0.00 176.83 174.77 1u3g h HIS 24 N 0.69 0.13 0.07 2.24 -0.00 0.10 -2.12 115.15 116.26 1u3g h HIS 24 Ca 0.37 -0.04 -0.27 0.00 -0.00 0.00 0.00 60.37 60.42 1u3g h HIS 24 Cb 0.35 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 1u3g h HIS 24 CO -0.08 0.60 -1.36 -0.07 -0.00 0.00 0.00 177.93 177.02 1u3g h LEU 25 N 0.09 0.22 -0.37 0.26 3.38 0.57 -3.01 115.31 116.44 1u3g h LEU 25 Ca 0.00 -0.28 -0.18 0.00 0.09 0.00 0.00 57.88 57.50 1u3g h LEU 25 Cb 0.94 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 1u3g h LEU 25 CO 0.07 1.23 -0.61 0.44 0.09 0.00 0.00 178.44 179.66 1u3g h ASP 26 N 0.04 0.78 0.53 -0.43 3.45 -0.59 -1.58 116.42 118.61 1u3g h ASP 26 Ca -0.16 -0.44 -0.02 0.00 0.43 0.00 0.00 57.03 56.83 1u3g h ASP 26 Cb 1.94 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 40.48 1u3g h ASP 26 CO 0.15 1.20 -0.29 -0.61 -1.57 0.00 0.00 179.24 178.12 1u3g h GLN 27 N 0.51 -0.74 -0.23 3.56 5.75 -1.49 0.13 115.11 122.59 1u3g h GLN 27 Ca -0.01 0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.61 1u3g h GLN 27 Cb 1.20 0.17 -0.07 0.00 1.07 0.00 0.00 27.48 29.84 1u3g h GLN 27 CO 0.12 -0.49 -0.27 0.87 -2.65 0.00 0.00 178.83 176.41 1u3g h LYS 28 N -0.77 -0.27 -0.50 1.69 1.57 -1.49 -1.98 116.57 114.82 1u3g h LYS 28 Ca -0.07 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1u3g h LYS 28 Cb 0.61 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1u3g h LYS 28 CO 0.09 -0.18 0.31 0.82 -0.57 0.00 0.00 179.45 179.91 1u3g h ILE 29 N -0.28 1.07 0.00 1.86 2.04 -1.15 -1.34 117.51 119.71 1u3g h ILE 29 Ca 0.13 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1u3g h ILE 29 Cb 0.49 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1u3g h ILE 29 CO -0.40 0.11 -0.12 0.78 0.00 0.00 0.00 178.15 178.53 1u3g h ASN 30 N 0.61 0.00 -0.10 1.72 4.21 -0.40 -1.19 115.58 120.44 1u3g h ASN 30 Ca 0.20 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.47 1u3g h ASN 30 Cb -0.01 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1u3g h ASN 30 CO -0.08 0.12 -0.86 1.56 -1.29 0.00 0.00 177.43 176.88 1u3g h GLN 31 N 0.00 0.77 0.00 0.81 4.20 -0.68 -1.80 115.11 118.40 1u3g h GLN 31 Ca -0.00 -0.68 -0.04 0.00 0.06 0.00 0.00 58.65 57.99 1u3g h GLN 31 Cb 0.21 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1u3g h GLN 31 CO 0.02 1.28 -0.20 0.87 -0.67 0.00 0.00 178.83 180.12 1u3g h LYS 32 N 0.50 0.00 -0.35 1.46 1.57 -0.68 -1.56 116.57 117.51 1u3g h LYS 32 Ca -0.08 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 1u3g h LYS 32 Cb 1.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.80 1u3g h LYS 32 CO 0.17 0.20 -0.44 1.25 -0.57 0.00 0.00 179.45 180.07 1u3g h LEU 33 N 0.00 0.98 -0.50 2.94 5.85 -0.98 0.38 115.31 123.98 1u3g h LEU 33 Ca -0.00 -0.48 -0.16 0.00 0.84 0.00 0.00 57.88 58.08 1u3g h LEU 33 Cb 0.39 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1u3g h LEU 33 CO 0.03 1.28 -0.50 0.58 -0.34 0.00 0.00 178.44 179.48 1u3g h VAL 34 N 0.73 1.30 0.00 1.05 2.07 -0.90 -2.54 116.25 117.96 1u3g h VAL 34 Ca 0.05 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1u3g h VAL 34 Cb 1.04 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1u3g h VAL 34 CO 0.10 0.54 0.00 0.00 0.02 0.00 0.00 177.57 178.24 1u3g h ALA 35 N 0.93 1.00 0.17 1.67 0.00 -1.22 -2.89 119.26 118.93 1u3g h ALA 35 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 1u3g h ALA 35 Cb 1.05 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1u3g h ALA 35 CO 0.10 0.00 -1.33 0.35 0.00 0.00 0.00 179.25 178.38 1u3g h PHE 36 N 0.00 0.70 0.00 0.00 3.57 -0.52 -3.40 116.94 117.29 1u3g h PHE 36 Ca 0.00 -0.50 -0.01 0.00 3.53 0.00 0.00 57.97 60.98 1u3g h PHE 36 Cb 0.68 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1u3g h PHE 36 CO 0.00 1.39 -0.09 -0.07 -2.23 0.00 0.00 178.31 177.31 1u3g h LEU 37 N 0.11 0.00 -0.64 0.59 3.38 -1.44 -3.39 115.31 113.92 1u3g h LEU 37 Ca -0.18 -0.45 0.17 0.00 0.09 0.00 0.00 57.88 57.51 1u3g h LEU 37 Cb 2.04 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.67 1u3g h LEU 37 CO 0.23 0.78 -0.00 0.41 0.09 0.00 0.00 178.44 179.95 1u3g n THR 38 N -4.68 -0.27 0.82 0.22 -1.04 -1.10 0.36 114.28 108.59 1u3g n THR 38 Ca -0.06 1.42 0.02 0.00 -2.04 0.00 0.00 64.05 63.38 1u3g n THR 38 Cb 0.26 -2.06 0.10 0.00 -1.82 0.00 0.00 70.33 66.81 1u3g n THR 38 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1u3g n PRO 39 N -4.86 0.41 -2.74 -2.82 -0.04 -1.26 -3.51 135.00 120.17 1u3g n PRO 39 Ca 0.15 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1u3g n PRO 39 Cb 0.48 -1.13 0.07 0.00 -0.04 0.00 0.00 33.50 32.87 1u3g n PRO 39 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1u3g n LYS 40 N -0.63 0.91 -0.74 0.54 2.85 0.16 -5.04 118.16 116.20 1u3g n LYS 40 Ca 0.03 -1.85 -0.25 0.00 -1.05 0.00 0.00 58.31 55.19 1u3g n LYS 40 Cb 0.01 -1.24 -0.03 0.00 -0.65 0.00 0.00 35.03 33.12 1u3g n LYS 40 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1u3g n PRO 41 N 0.97 1.68 -0.00 -1.58 -0.04 -1.23 -3.79 135.00 131.00 1u3g n PRO 41 Ca 0.08 -1.42 0.03 0.00 -0.04 0.00 0.00 63.50 62.14 1u3g n PRO 41 Cb 0.67 -2.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.59 1u3g n PRO 41 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u3g s ILE 43 N -2.04 4.13 -0.14 0.00 -1.09 -1.25 -4.85 121.20 115.97 1u3g s ILE 43 Ca -0.01 1.27 0.16 0.00 -2.23 0.00 0.00 60.65 59.84 1u3g s ILE 43 Cb 0.03 -4.18 -0.23 0.00 -1.58 0.00 0.00 42.46 36.51 1u3g s ILE 43 CO 0.21 -0.51 0.13 1.17 -1.23 0.00 0.00 174.94 174.71 1u3g n LYS 44 N 7.38 1.07 -3.79 2.79 4.81 -1.26 -4.77 118.16 124.40 1u3g n LYS 44 Ca 0.15 -0.04 -0.24 0.00 -0.87 0.00 0.00 58.31 57.31 1u3g n LYS 44 Cb 0.47 -1.44 -0.17 0.00 0.02 0.00 0.00 35.03 33.91 1u3g n LYS 44 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1u3g s THR 45 N -2.60 0.49 0.04 3.15 2.01 -1.26 -0.39 115.64 117.08 1u3g s THR 45 Ca -0.08 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 61.99 1u3g s THR 45 Cb 0.06 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.88 1u3g s THR 45 CO 0.71 0.23 -0.22 -0.51 -0.69 0.00 0.00 174.62 174.14 1u3g s ILE 46 N 1.92 2.46 -0.21 1.82 2.07 0.22 -1.25 121.20 128.23 1u3g s ILE 46 Ca 0.04 -1.26 -0.16 0.00 -1.41 0.00 0.00 60.65 57.87 1u3g s ILE 46 Cb -0.13 -1.99 -0.04 0.00 0.13 0.00 0.00 42.46 40.43 1u3g s ILE 46 CO -0.06 0.37 0.39 0.00 -1.91 0.00 0.00 174.94 173.73 1u3g s ALA 47 N -0.85 3.56 0.00 1.50 0.00 0.17 -0.79 121.76 125.35 1u3g s ALA 47 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1u3g s ALA 47 Cb -0.10 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.39 1u3g s ALA 47 CO 0.03 -0.32 0.00 1.28 0.00 0.00 0.00 175.76 176.75 1u3g n LEU 48 N 4.52 0.00 -3.58 0.00 4.32 -0.42 0.72 117.00 122.57 1u3g n LEU 48 Ca -0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.82 1u3g n LEU 48 Cb 0.51 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.29 1u3g n LEU 48 CO 0.39 0.00 0.55 -0.72 -1.22 0.00 0.00 177.39 176.40 1u3g s TYR 49 N 1.43 -0.35 -0.56 -1.77 -0.85 -1.26 -4.30 117.35 109.68 1u3g s TYR 49 Ca 0.00 0.10 -0.11 0.00 -0.52 0.00 0.00 57.07 56.54 1u3g s TYR 49 Cb 0.00 0.59 0.14 0.00 0.38 0.00 0.00 41.96 43.08 1u3g s TYR 49 CO 0.00 -0.83 0.46 -1.21 -1.52 0.00 0.00 175.55 172.45 1u3g s GLU 50 N -3.52 2.77 0.05 -3.49 2.02 -1.26 -4.96 118.70 110.31 1u3g s GLU 50 Ca 0.06 -1.96 -0.31 0.00 0.02 0.00 0.00 54.97 52.78 1u3g s GLU 50 Cb -0.02 -4.06 -0.16 0.00 0.10 0.00 0.00 34.13 29.99 1u3g s GLU 50 CO -0.06 -1.24 0.78 -0.35 0.02 0.00 0.00 175.26 174.41 1u3g n PRO 51 N 4.66 0.00 0.00 0.39 -0.04 -1.26 -4.96 135.00 133.80 1u3g n PRO 51 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 1u3g n PRO 51 Cb 0.41 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1u3g n PRO 51 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1u3g n ILE 52 N 0.92 0.00 -0.17 0.52 0.13 -1.26 -4.89 119.36 114.60 1u3g n ILE 52 Ca 0.16 0.00 -0.06 0.00 -1.10 0.00 0.00 62.75 61.75 1u3g n ILE 52 Cb 0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 39.64 38.89 1u3g n ILE 52 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1u3g n LYS 53 N 0.00 0.00 -2.80 9.51 4.76 -1.26 -3.90 118.16 124.47 1u3g n LYS 53 Ca 0.00 -0.48 -0.22 0.00 -2.87 0.00 0.00 58.31 54.74 1u3g n LYS 53 Cb 0.00 -1.90 0.02 0.00 -1.84 0.00 0.00 35.03 31.31 1u3g n LYS 53 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1u3g n ASN 54 N 5.17 -6.10 -4.68 4.39 5.15 -1.26 -4.77 115.26 113.15 1u3g n ASN 54 Ca 0.07 -0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 53.57 1u3g n ASN 54 Cb 0.07 -4.98 0.17 0.00 -0.53 0.00 0.00 39.78 34.51 1u3g n ASN 54 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1u3g s GLU 55 N -5.47 0.55 0.32 1.20 2.02 -1.25 -4.91 118.70 111.16 1u3g s GLU 55 Ca 0.20 0.56 -0.29 0.00 0.02 0.00 0.00 54.97 55.45 1u3g s GLU 55 Cb -0.09 -1.75 -0.12 0.00 0.10 0.00 0.00 34.13 32.28 1u3g s GLU 55 CO 0.24 -2.66 1.49 0.28 0.02 0.00 0.00 175.26 174.63 1u3g n VAL 56 N -4.13 1.50 -3.93 2.63 0.31 -1.26 -4.84 118.33 108.61 1u3g n VAL 56 Ca 0.05 -0.37 -0.29 0.00 -0.01 0.00 0.00 64.34 63.72 1u3g n VAL 56 Cb 0.57 -1.85 -0.04 0.00 -0.91 0.00 0.00 33.84 31.62 1u3g n VAL 56 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1u3g s THR 57 N -0.56 5.36 -0.29 2.52 2.01 -1.26 -4.72 115.64 118.69 1u3g s THR 57 Ca 0.59 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.97 1u3g s THR 57 Cb -0.52 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1u3g s THR 57 CO 0.56 0.07 0.29 -0.36 -0.69 0.00 0.00 174.62 174.48 1u3g s PHE 58 N -1.58 3.23 0.52 4.92 0.40 -1.26 -4.82 117.98 119.39 1u3g s PHE 58 Ca 0.35 0.17 -0.16 0.00 -0.60 0.00 0.00 56.93 56.70 1u3g s PHE 58 Cb -0.12 -2.50 -0.07 0.00 0.51 0.00 0.00 43.02 40.83 1u3g s PHE 58 CO 0.28 -0.25 0.98 0.08 0.70 0.00 0.00 175.22 177.02 1u3g s VAL 59 N 1.91 4.57 0.22 -0.44 1.01 -1.26 -4.95 120.40 121.46 1u3g s VAL 59 Ca 0.11 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 1u3g s VAL 59 Cb -0.16 -3.74 0.22 0.00 0.00 0.00 0.00 36.38 32.70 1u3g s VAL 59 CO 0.11 -0.74 1.56 -2.24 0.00 0.00 0.00 175.10 173.79 1u3g h ASP 60 N 0.77 -1.29 0.50 3.32 2.03 -2.00 0.22 116.42 119.97 1u3g h ASP 60 Ca -0.46 0.28 -0.01 0.00 -0.73 0.00 0.00 57.03 56.11 1u3g h ASP 60 Cb 1.19 0.68 -0.00 0.00 -0.83 0.00 0.00 39.33 40.37 1u3g h ASP 60 CO 0.62 -0.29 -0.03 2.19 -1.03 0.00 0.00 179.24 180.69 1u3g h PHE 61 N -0.05 0.00 -0.16 4.15 -5.15 -1.99 -1.91 116.94 111.83 1u3g h PHE 61 Ca 0.32 0.00 -0.19 0.00 -0.20 0.00 0.00 57.97 57.91 1u3g h PHE 61 Cb 0.59 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.77 1u3g h PHE 61 CO -0.79 0.03 -0.63 0.35 -2.00 0.00 0.00 178.31 175.27 1u3g h PHE 62 N 0.00 0.95 0.00 6.09 3.57 -1.32 -1.42 116.94 124.80 1u3g h PHE 62 Ca -0.00 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1u3g h PHE 62 Cb 0.28 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1u3g h PHE 62 CO 0.00 1.21 0.00 0.74 -2.23 0.00 0.00 178.31 178.03 1u3g h PHE 63 N 0.41 0.00 0.07 0.41 -1.00 -1.12 -2.30 116.94 113.42 1u3g h PHE 63 Ca -0.03 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.46 1u3g h PHE 63 Cb 1.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.80 1u3g h PHE 63 CO 0.09 0.00 -1.46 0.93 -1.61 0.00 0.00 178.31 176.26 1u3g h GLU 64 N 0.00 0.16 0.00 1.51 4.39 -1.19 -2.71 114.58 116.73 1u3g h GLU 64 Ca 0.00 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 1u3g h GLU 64 Cb 0.40 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1u3g h GLU 64 CO 0.00 0.99 -0.17 0.35 -1.16 0.00 0.00 179.01 179.02 1u3g h PHE 65 N 0.04 0.00 0.04 4.33 3.57 -0.70 -1.26 116.94 122.97 1u3g h PHE 65 Ca -0.20 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.04 1u3g h PHE 65 Cb 1.97 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.68 1u3g h PHE 65 CO 0.04 0.17 -1.28 -0.07 -2.23 0.00 0.00 178.31 174.93 1u3g h LEU 66 N 0.00 0.12 -0.06 0.59 3.38 -1.54 -3.25 115.31 114.55 1u3g h LEU 66 Ca -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1u3g h LEU 66 Cb 0.33 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1u3g h LEU 66 CO 0.02 1.13 0.00 0.50 0.09 0.00 0.00 178.44 180.18 1u3g h LYS 67 N 0.02 0.11 0.00 1.13 3.11 -0.98 0.59 116.57 120.54 1u3g h LYS 67 Ca -0.13 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1u3g h LYS 67 Cb 1.89 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 1u3g h LYS 67 CO 0.13 0.38 0.00 0.44 -2.81 0.00 0.00 179.45 177.59 1u3g n ILE 68 N -4.87 0.02 -0.11 2.00 -5.35 -0.56 -2.51 119.36 107.98 1u3g n ILE 68 Ca -0.07 0.01 0.01 0.00 -0.27 0.00 0.00 62.75 62.43 1u3g n ILE 68 Cb 0.19 -0.60 0.03 0.00 -1.74 0.00 0.00 39.64 37.52 1u3g n ILE 68 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1u3g n ASN 69 N -1.03 2.14 -2.69 7.28 4.13 -1.09 -4.99 115.26 118.99 1u3g n ASN 69 Ca 0.19 -2.10 -0.18 0.00 1.68 0.00 0.00 54.58 54.17 1u3g n ASN 69 Cb 0.10 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1u3g n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u3g n GLN 70 N -0.48 -2.76 -3.17 3.52 3.00 -0.81 -4.95 117.38 111.73 1u3g n GLN 70 Ca 0.03 0.71 -0.39 0.00 -0.01 0.00 0.00 57.00 57.33 1u3g n GLN 70 Cb 0.31 -5.38 -0.05 0.00 0.00 0.00 0.00 30.24 25.11 1u3g n GLN 70 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1u3g s ILE 71 N -2.85 5.10 0.04 5.09 1.01 0.13 -4.89 121.20 124.84 1u3g s ILE 71 Ca 0.12 1.20 -0.24 0.00 0.00 0.00 0.00 60.65 61.73 1u3g s ILE 71 Cb -0.06 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 1u3g s ILE 71 CO 0.15 0.27 0.73 -0.13 0.00 0.00 0.00 174.94 175.96 1u3g s ARG 72 N 0.86 4.46 -0.31 2.79 1.81 0.48 -4.62 118.95 124.43 1u3g s ARG 72 Ca 0.32 1.00 -0.06 0.00 -1.72 0.00 0.00 55.73 55.27 1u3g s ARG 72 Cb -0.16 -3.35 0.02 0.00 -0.45 0.00 0.00 34.95 31.01 1u3g s ARG 72 CO 0.14 0.31 0.07 0.00 -0.68 0.00 0.00 175.30 175.15 1u3g s ALA 73 N -0.14 3.02 -0.03 2.13 0.00 -1.26 0.72 121.76 126.20 1u3g s ALA 73 Ca 0.37 -1.58 -0.00 0.00 0.00 0.00 0.00 51.96 50.75 1u3g s ALA 73 Cb -0.20 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1u3g s ALA 73 CO 0.22 -1.08 0.01 0.14 0.00 0.00 0.00 175.76 175.05 1u3g s VAL 74 N 1.44 4.30 0.12 0.00 -7.23 0.03 -4.57 120.40 114.49 1u3g s VAL 74 Ca 0.00 -0.44 0.10 0.00 -1.81 0.00 0.00 61.98 59.83 1u3g s VAL 74 Cb -0.18 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 1u3g s VAL 74 CO 0.02 0.46 -0.22 -0.31 -0.31 0.00 0.00 175.10 174.74 1u3g s TYR 75 N -1.03 2.44 0.20 2.82 1.51 0.19 -1.30 117.35 122.19 1u3g s TYR 75 Ca 0.18 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.63 1u3g s TYR 75 Cb -0.12 -1.30 -0.08 0.00 -0.11 0.00 0.00 41.96 40.35 1u3g s TYR 75 CO 0.08 0.37 1.10 -1.25 -1.11 0.00 0.00 175.55 174.74 1u3g s PRO 76 N -2.12 4.61 -0.07 -1.71 0.04 -1.26 -1.92 135.00 132.56 1u3g s PRO 76 Ca 0.16 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1u3g s PRO 76 Cb -0.10 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.20 1u3g s PRO 76 CO 0.09 0.11 -0.01 0.15 0.04 0.00 0.00 177.00 177.37 1u3g s LYS 77 N -0.60 0.72 -0.19 4.56 3.01 0.16 -4.95 119.74 122.45 1u3g s LYS 77 Ca 0.48 0.04 -0.29 0.00 -1.01 0.00 0.00 55.97 55.19 1u3g s LYS 77 Cb -0.30 -1.00 -0.02 0.00 -1.01 0.00 0.00 37.83 35.51 1u3g s LYS 77 CO 0.36 -0.26 1.37 0.08 0.51 0.00 0.00 175.35 177.41 1u3g s VAL 78 N 1.75 4.08 0.01 3.17 1.01 -1.26 -0.18 120.40 128.98 1u3g s VAL 78 Ca 0.02 1.27 -0.23 0.00 0.00 0.00 0.00 61.98 63.04 1u3g s VAL 78 Cb -0.13 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.19 1u3g s VAL 78 CO -0.05 -0.24 1.02 0.40 0.00 0.00 0.00 175.10 176.24 1u3g h ILE 79 N 5.71 0.00 0.00 2.22 2.04 -0.88 -3.46 117.51 123.15 1u3g h ILE 79 Ca -0.29 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1u3g h ILE 79 Cb 1.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1u3g h ILE 79 CO 0.99 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 177.60 1u3g n SER 80 N -5.03 0.00 0.00 1.72 3.41 -1.25 -4.98 113.62 107.49 1u3g n SER 80 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 1u3g n SER 80 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1u3g n SER 80 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u3g n ASP 81 N -2.21 0.00 -0.07 4.04 3.85 -1.26 -4.97 116.55 115.93 1u3g n ASP 81 Ca 0.00 0.00 -0.07 0.00 -0.71 0.00 0.00 54.79 54.01 1u3g n ASP 81 Cb 0.00 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.75 1u3g n ASP 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1u3g n THR 82 N 0.00 1.35 -4.21 2.12 -1.04 -1.26 -5.04 114.28 106.20 1u3g n THR 82 Ca 0.00 0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 62.08 1u3g n THR 82 Cb 0.00 -2.19 -0.10 0.00 -1.82 0.00 0.00 70.33 66.22 1u3g n THR 82 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1u3g s GLU 83 N -2.65 1.01 0.22 -2.82 -1.05 -1.26 -4.79 118.70 107.36 1u3g s GLU 83 Ca -0.23 -1.47 0.10 0.00 -0.15 0.00 0.00 54.97 53.21 1u3g s GLU 83 Cb 0.03 -0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.54 1u3g s GLU 83 CO 0.35 -0.14 -0.12 0.96 0.95 0.00 0.00 175.26 177.26 1u3g s ILE 84 N -3.74 3.00 0.16 1.83 -4.36 -1.26 -0.15 121.20 116.68 1u3g s ILE 84 Ca 0.22 -1.89 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 1u3g s ILE 84 Cb 0.06 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 41.21 1u3g s ILE 84 CO 0.02 -0.21 -0.07 0.27 0.24 0.00 0.00 174.94 175.19 1u3g s ILE 85 N -1.95 1.07 -0.12 8.37 -4.36 0.75 -4.87 121.20 120.09 1u3g s ILE 85 Ca 0.26 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1u3g s ILE 85 Cb -0.08 -1.96 -0.01 0.00 1.25 0.00 0.00 42.46 41.66 1u3g s ILE 85 CO 0.15 -0.65 -0.14 -0.36 0.24 0.00 0.00 174.94 174.18 1u3g s PHE 86 N -3.39 2.78 0.23 1.37 0.40 -1.26 0.38 117.98 118.49 1u3g s PHE 86 Ca 0.19 -0.63 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1u3g s PHE 86 Cb 0.04 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 1u3g s PHE 86 CO 0.02 -0.19 0.05 0.96 0.70 0.00 0.00 175.22 176.76 1u3g s ILE 87 N 0.25 0.72 0.00 0.64 -4.36 -0.81 -1.39 121.20 116.25 1u3g s ILE 87 Ca -0.10 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 1u3g s ILE 87 Cb -0.16 -2.44 0.00 0.00 1.25 0.00 0.00 42.46 41.12 1u3g s ILE 87 CO 0.06 -0.20 0.00 -0.90 0.24 0.00 0.00 174.94 174.13 1u3g n ASP 88 N -0.40 0.87 -0.10 4.36 5.75 -0.71 -0.63 116.55 125.68 1u3g n ASP 88 Ca -0.03 -0.59 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 1u3g n ASP 88 Cb 0.65 0.00 0.28 0.00 -1.03 0.00 0.00 41.12 41.02 1u3g n ASP 88 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1u3g h GLN 89 N 0.00 0.75 -0.04 0.11 -0.00 -1.91 -0.73 115.11 113.30 1u3g h GLN 89 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 58.65 58.55 1u3g h GLN 89 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 27.34 1u3g h GLN 89 CO 0.00 0.60 0.00 -1.91 -0.00 0.00 0.00 178.83 177.52 1u3g n GLU 90 N -4.36 1.23 -1.58 0.06 4.07 -1.26 -4.89 120.64 113.92 1u3g n GLU 90 Ca 0.04 -0.34 -0.08 0.00 -0.06 0.00 0.00 57.16 56.73 1u3g n GLU 90 Cb 0.14 -1.39 -0.02 0.00 -0.06 0.00 0.00 31.44 30.11 1u3g n GLU 90 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1u3g n THR 91 N -0.50 -0.14 -3.05 6.31 -2.24 -0.28 -5.02 114.28 109.35 1u3g n THR 91 Ca 0.17 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.56 1u3g n THR 91 Cb 0.16 -1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 67.13 1u3g n THR 91 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1u3g s ASN 92 N -2.81 7.29 -0.21 3.42 0.01 -1.26 -4.75 114.94 116.63 1u3g s ASN 92 Ca 0.00 1.53 -0.15 0.00 -0.71 0.00 0.00 52.86 53.52 1u3g s ASN 92 Cb 0.00 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.16 1u3g s ASN 92 CO 0.00 0.20 0.37 0.28 -1.51 0.00 0.00 177.10 176.43 1u3g s THR 93 N -0.97 5.21 -0.18 1.60 -1.32 -1.26 -1.74 115.64 116.99 1u3g s THR 93 Ca 0.35 0.64 -0.13 0.00 -1.21 0.00 0.00 61.69 61.33 1u3g s THR 93 Cb -0.22 -3.70 -0.05 0.00 -1.51 0.00 0.00 72.50 67.02 1u3g s THR 93 CO 0.24 0.25 0.26 -0.36 -2.21 0.00 0.00 174.62 172.80 1u3g s PHE 94 N 1.34 3.42 0.95 9.09 0.40 -0.49 -5.00 117.98 127.69 1u3g s PHE 94 Ca 0.17 0.50 -0.11 0.00 -0.60 0.00 0.00 56.93 56.90 1u3g s PHE 94 Cb -0.15 -2.32 0.16 0.00 0.51 0.00 0.00 43.02 41.22 1u3g s PHE 94 CO 0.08 0.19 1.10 -1.21 0.70 0.00 0.00 175.22 176.08 1u3g s GLU 95 N 0.63 0.80 0.23 0.44 0.41 -1.26 -4.47 118.70 115.48 1u3g s GLU 95 Ca 0.14 1.18 -0.07 0.00 -0.41 0.00 0.00 54.97 55.81 1u3g s GLU 95 Cb -0.13 -1.73 0.41 0.00 -1.78 0.00 0.00 34.13 30.90 1u3g s GLU 95 CO 0.03 -2.66 1.68 -1.35 -0.49 0.00 0.00 175.26 172.48 1u3g h PRO 96 N -1.87 0.23 -0.03 0.39 0.11 -1.96 -1.39 132.00 127.48 1u3g h PRO 96 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u3g h PRO 96 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1u3g h PRO 96 CO 0.48 0.15 0.00 0.09 -0.21 0.00 0.00 178.00 178.51 1u3g n ASN 97 N -5.18 0.50 -0.37 -2.05 5.03 -1.26 -2.79 115.26 109.14 1u3g n ASN 97 Ca 0.13 -1.33 0.14 0.00 0.87 0.00 0.00 54.58 54.38 1u3g n ASN 97 Cb 0.42 -0.02 0.48 0.00 -1.02 0.00 0.00 39.78 39.65 1u3g n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1u3g n GLN 98 N -0.54 1.30 -3.91 3.52 6.02 -0.53 -4.75 117.38 118.49 1u3g n GLN 98 Ca 0.19 -0.74 -0.35 0.00 -0.01 0.00 0.00 57.00 56.08 1u3g n GLN 98 Cb 0.17 -1.48 -0.13 0.00 1.02 0.00 0.00 30.24 29.81 1u3g n GLN 98 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1u3g s ILE 99 N -2.21 3.92 -0.57 5.09 1.01 -1.12 -4.74 121.20 122.58 1u3g s ILE 99 Ca 0.33 -0.31 0.24 0.00 0.00 0.00 0.00 60.65 60.91 1u3g s ILE 99 Cb 0.20 -2.80 0.15 0.00 0.01 0.00 0.00 42.46 40.03 1u3g s ILE 99 CO 0.41 0.40 1.45 0.44 0.00 0.00 0.00 174.94 177.64 1u3g h ASP 100 N 7.92 0.00 -3.94 3.58 3.32 -1.47 -3.48 116.42 122.36 1u3g h ASP 100 Ca -0.38 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 1u3g h ASP 100 Cb 1.17 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 1u3g h ASP 100 CO 0.60 0.04 0.21 0.00 -1.72 0.00 0.00 179.24 178.37 1u3g s PHE 102 N 0.15 3.12 -0.45 0.00 0.40 -0.31 0.42 117.98 121.31 1u3g s PHE 102 Ca -0.00 -2.09 -0.18 0.00 -0.60 0.00 0.00 56.93 54.05 1u3g s PHE 102 Cb -0.04 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.58 1u3g s PHE 102 CO 0.00 -0.85 0.52 -0.51 0.70 0.00 0.00 175.22 175.08 1u3g s LEU 103 N 1.17 4.88 -0.14 -0.37 1.43 0.22 -1.25 118.68 124.62 1u3g s LEU 103 Ca -0.05 -0.72 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1u3g s LEU 103 Cb -0.18 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1u3g s LEU 103 CO -0.07 -0.71 0.09 -0.63 0.23 0.00 0.00 176.35 175.27 1u3g s ILE 104 N 2.36 5.08 0.25 -0.59 1.01 0.18 -4.22 121.20 125.27 1u3g s ILE 104 Ca 0.14 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.66 1u3g s ILE 104 Cb -0.18 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.97 1u3g s ILE 104 CO 0.14 0.54 0.73 -2.16 0.00 0.00 0.00 174.94 174.19 1u3g s PRO 105 N -0.39 4.20 0.16 2.79 0.04 -1.26 -0.46 135.00 140.08 1u3g s PRO 105 Ca 0.10 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1u3g s PRO 105 Cb -0.12 -2.77 0.02 0.00 0.04 0.00 0.00 34.50 31.68 1u3g s PRO 105 CO 0.02 0.33 0.43 -0.48 0.04 0.00 0.00 177.00 177.34 1u3g s LEU 106 N -2.23 0.36 -0.13 -3.56 0.05 -1.25 -4.92 118.68 107.00 1u3g s LEU 106 Ca 0.46 -0.48 -0.11 0.00 0.05 0.00 0.00 54.13 54.05 1u3g s LEU 106 Cb -0.15 1.86 -0.25 0.00 -2.05 0.00 0.00 46.19 45.60 1u3g s LEU 106 CO 0.20 -0.95 0.37 0.58 -0.55 0.00 0.00 176.35 176.01 1u3g h VAL 107 N 2.32 0.74 -3.10 1.48 2.07 -1.15 -3.48 116.25 115.15 1u3g h VAL 107 Ca -0.31 -2.32 -0.08 0.00 0.82 0.00 0.00 66.70 64.81 1u3g h VAL 107 Cb 1.25 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1u3g h VAL 107 CO 0.43 0.76 0.16 0.61 0.02 0.00 0.00 177.57 179.55 1u3g n GLY 108 N 1.84 1.33 3.60 2.17 0.00 -1.00 -4.76 105.19 108.38 1u3g n GLY 108 Ca -0.31 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 1u3g n GLY 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u3g s PHE 109 N -2.94 -0.63 0.52 1.61 -0.71 -0.99 -1.78 117.98 113.07 1u3g s PHE 109 Ca 0.17 1.39 0.07 0.00 -1.04 0.00 0.00 56.93 57.53 1u3g s PHE 109 Cb -0.04 0.35 0.09 0.00 -1.21 0.00 0.00 43.02 42.21 1u3g s PHE 109 CO 0.12 -0.38 0.72 0.27 -1.34 0.00 0.00 175.22 174.61 1u3g n ASN 110 N 1.94 1.75 0.34 1.98 2.04 -1.07 -0.72 115.26 121.52 1u3g n ASN 110 Ca -0.14 -2.29 0.20 0.00 -0.44 0.00 0.00 54.58 51.90 1u3g n ASN 110 Cb 0.56 -0.40 1.06 0.00 -2.53 0.00 0.00 39.78 38.47 1u3g n ASN 110 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 1u3g h LYS 111 N 0.00 0.00 -0.59 -3.83 2.10 -1.93 -0.20 116.57 112.12 1u3g h LYS 111 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1u3g h LYS 111 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1u3g h LYS 111 CO 0.33 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.53 1u3g n ASP 112 N -3.02 3.19 -1.27 7.07 8.00 -1.26 -4.92 116.55 124.33 1u3g n ASP 112 Ca -0.03 -2.03 -0.12 0.00 0.71 0.00 0.00 54.79 53.32 1u3g n ASP 112 Cb 0.20 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1u3g n ASP 112 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1u3g n ASN 113 N 1.17 -4.13 -4.86 -2.24 3.02 -0.09 -4.74 115.26 103.40 1u3g n ASN 113 Ca 0.20 0.09 -0.32 0.00 -0.03 0.00 0.00 54.58 54.52 1u3g n ASN 113 Cb 0.51 -3.14 -0.06 0.00 -0.61 0.00 0.00 39.78 36.49 1u3g n ASN 113 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1u3g s TYR 114 N -2.57 3.39 0.26 3.10 1.51 -1.26 -0.67 117.35 121.11 1u3g s TYR 114 Ca 0.00 1.16 -0.01 0.00 -1.01 0.00 0.00 57.07 57.21 1u3g s TYR 114 Cb 0.00 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 1u3g s TYR 114 CO 0.00 0.08 0.46 0.50 -1.11 0.00 0.00 175.55 175.49 1u3g s ARG 115 N -3.09 3.53 -0.30 -0.62 3.52 -1.25 -2.59 118.95 118.14 1u3g s ARG 115 Ca 0.53 -0.30 -0.01 0.00 -0.13 0.00 0.00 55.73 55.82 1u3g s ARG 115 Cb -0.10 -2.76 0.10 0.00 -1.56 0.00 0.00 34.95 30.63 1u3g s ARG 115 CO 0.20 0.30 0.09 -1.17 -0.81 0.00 0.00 175.30 173.90 1u3g s LEU 116 N -3.69 2.29 0.00 -0.88 2.96 -0.73 -4.93 118.68 113.69 1u3g s LEU 116 Ca 0.40 -1.60 0.00 0.00 -0.22 0.00 0.00 54.13 52.71 1u3g s LEU 116 Cb -0.10 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.70 1u3g s LEU 116 CO 0.31 -0.40 0.00 0.61 -1.32 0.00 0.00 176.35 175.55 1u3g n GLY 117 N 4.83 1.55 0.00 7.98 0.00 -1.26 -0.59 105.19 117.70 1u3g n GLY 117 Ca -0.02 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.07 1u3g n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u3g n PHE 118 N -0.03 0.00 -0.45 1.61 3.01 -1.26 -4.77 117.46 115.57 1u3g n PHE 118 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1u3g n PHE 118 Cb 0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1u3g n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u3g n GLY 119 N -0.19 0.74 0.15 1.37 0.00 -1.26 -4.94 105.19 101.06 1u3g n GLY 119 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1u3g n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3g h LYS 120 N 3.53 0.51 0.00 1.61 1.79 -2.01 -3.48 116.57 118.51 1u3g h LYS 120 Ca 0.00 -0.82 0.00 0.00 -2.18 0.00 0.00 60.65 57.65 1u3g h LYS 120 Cb 0.00 0.30 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1u3g h LYS 120 CO 0.00 1.39 0.00 0.41 -1.08 0.00 0.00 179.45 180.17 1u3g n GLY 121 N 1.63 0.87 0.17 3.86 0.00 -1.26 -5.00 105.19 105.46 1u3g n GLY 121 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 1u3g n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1u3g h TYR 122 N 0.00 0.47 -0.37 1.61 0.99 -1.94 -1.77 116.97 115.95 1u3g h TYR 122 Ca 0.00 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.65 1u3g h TYR 122 Cb 0.00 -0.15 -0.01 0.00 1.00 0.00 0.00 36.73 37.56 1u3g h TYR 122 CO 0.00 0.28 -0.11 1.88 -0.00 0.00 0.00 178.16 180.21 1u3g h TYR 123 N 0.51 0.83 -0.12 4.88 -1.99 -1.97 0.33 116.97 119.44 1u3g h TYR 123 Ca 0.16 -0.19 0.01 0.00 2.00 0.00 0.00 58.73 60.71 1u3g h TYR 123 Cb -0.02 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.50 1u3g h TYR 123 CO -0.06 0.89 0.04 -0.44 -0.00 0.00 0.00 178.16 178.59 1u3g h ASP 124 N 0.54 0.04 -0.13 3.88 3.32 -1.88 0.12 116.42 122.31 1u3g h ASP 124 Ca 0.09 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.20 1u3g h ASP 124 Cb 0.64 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.15 1u3g h ASP 124 CO 0.04 0.04 -0.14 -0.09 -1.72 0.00 0.00 179.24 177.37 1u3g h ARG 125 N 0.10 -0.17 0.65 3.56 2.43 -1.21 -3.24 114.38 116.50 1u3g h ARG 125 Ca 0.05 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1u3g h ARG 125 Cb 0.03 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1u3g h ARG 125 CO -0.06 -0.11 -0.31 -0.92 -1.51 0.00 0.00 179.97 177.06 1u3g h TYR 126 N -0.18 -0.81 0.00 2.20 3.20 -0.68 -3.21 116.97 117.49 1u3g h TYR 126 Ca 0.09 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1u3g h TYR 126 Cb 0.31 0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1u3g h TYR 126 CO -0.26 -0.49 0.00 1.28 -1.64 0.00 0.00 178.16 177.05 1u3g n LEU 127 N -5.36 0.00 0.10 2.82 4.77 0.38 -0.66 117.00 119.05 1u3g n LEU 127 Ca -0.11 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1u3g n LEU 127 Cb 0.35 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1u3g n LEU 127 CO 0.28 0.00 0.02 0.24 -1.33 0.00 0.00 177.39 176.60 1u3g h MET 128 N 0.00 0.00 0.00 3.23 2.86 -1.58 -3.33 114.93 116.11 1u3g h MET 128 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u3g h MET 128 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1u3g h MET 128 CO 0.00 0.03 0.00 1.04 1.06 0.00 0.00 176.91 179.04 1u3g n GLN 129 N -2.71 0.21 -2.15 1.72 6.02 0.16 -4.77 117.38 115.86 1u3g n GLN 129 Ca -0.01 0.27 -0.42 0.00 -0.01 0.00 0.00 57.00 56.83 1u3g n GLN 129 Cb 0.58 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 1u3g n GLN 129 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1u3g s LEU 130 N -4.32 3.50 -0.06 1.08 1.43 -1.25 -4.83 118.68 114.23 1u3g s LEU 130 Ca 0.09 0.97 0.14 0.00 -1.03 0.00 0.00 54.13 54.30 1u3g s LEU 130 Cb 0.12 -3.39 0.46 0.00 0.03 0.00 0.00 46.19 43.41 1u3g s LEU 130 CO 0.50 -1.68 1.39 0.35 0.23 0.00 0.00 176.35 177.14 1u3g n THR 131 N 7.24 1.42 -0.39 5.49 -2.24 -1.26 -4.44 114.28 120.10 1u3g n THR 131 Ca 0.20 -1.22 0.06 0.00 -2.27 0.00 0.00 64.05 60.81 1u3g n THR 131 Cb 0.48 0.28 0.15 0.00 -2.10 0.00 0.00 70.33 69.13 1u3g n THR 131 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1u3g n ARG 132 N 0.52 2.81 -3.42 -0.78 0.63 -1.26 -4.97 116.66 110.20 1u3g n ARG 132 Ca 0.17 -2.17 -0.25 0.00 -0.92 0.00 0.00 57.85 54.69 1u3g n ARG 132 Cb 0.63 -1.37 0.01 0.00 0.45 0.00 0.00 32.46 32.18 1u3g n ARG 132 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1u3g n GLN 133 N -0.02 -4.13 -1.93 -0.14 3.00 -1.26 -4.91 117.38 107.98 1u3g n GLN 133 Ca 0.12 0.59 -0.38 0.00 -0.01 0.00 0.00 57.00 57.32 1u3g n GLN 133 Cb 0.52 -5.37 0.02 0.00 0.00 0.00 0.00 30.24 25.41 1u3g n GLN 133 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 1u3g s GLN 134 N -6.09 3.37 0.07 -1.09 1.11 -1.26 -4.92 119.66 110.85 1u3g s GLN 134 Ca 0.44 2.10 -0.31 0.00 0.01 0.00 0.00 55.36 57.60 1u3g s GLN 134 Cb -0.22 -2.33 -0.08 0.00 -1.01 0.00 0.00 33.01 29.37 1u3g s GLN 134 CO 0.54 -0.97 1.52 -2.14 0.01 0.00 0.00 175.29 174.26 1u3g s PRO 135 N -2.81 4.25 -0.61 2.91 0.02 -1.26 -4.92 135.00 132.58 1u3g s PRO 135 Ca 0.68 2.19 -0.06 0.00 0.02 0.00 0.00 61.00 63.83 1u3g s PRO 135 Cb -0.37 -3.47 0.16 0.00 0.02 0.00 0.00 34.50 30.84 1u3g s PRO 135 CO 0.44 -0.62 0.46 0.15 -0.33 0.00 0.00 177.00 177.10 1u3g s LYS 136 N 2.10 2.68 -0.25 5.54 1.02 -1.26 -1.16 119.74 128.41 1u3g s LYS 136 Ca 0.69 -2.32 -0.13 0.00 0.02 0.00 0.00 55.97 54.23 1u3g s LYS 136 Cb -0.37 -3.87 -0.04 0.00 -0.52 0.00 0.00 37.83 33.02 1u3g s LYS 136 CO 0.30 -1.19 0.27 0.42 -0.92 0.00 0.00 175.35 174.23 1u3g s ILE 137 N 0.33 5.27 -0.04 2.17 -1.09 -0.38 -0.94 121.20 126.52 1u3g s ILE 137 Ca 0.14 0.37 -0.20 0.00 -2.23 0.00 0.00 60.65 58.74 1u3g s ILE 137 Cb -0.20 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 1u3g s ILE 137 CO -0.04 0.25 0.56 -0.83 -1.23 0.00 0.00 174.94 173.65 1u3g s GLY 138 N 1.41 2.54 -0.20 6.18 0.00 0.40 -0.65 107.32 117.02 1u3g s GLY 138 Ca 0.11 -0.03 -0.08 0.00 0.00 0.00 0.00 44.72 44.72 1u3g s GLY 138 CO 0.08 0.77 0.07 -0.42 0.00 0.00 0.00 173.10 173.61 1u3g s ILE 139 N 0.09 4.80 -0.13 0.90 1.01 0.40 -1.49 121.20 126.79 1u3g s ILE 139 Ca 0.30 -0.03 -0.32 0.00 0.00 0.00 0.00 60.65 60.61 1u3g s ILE 139 Cb -0.17 -3.18 0.13 0.00 0.01 0.00 0.00 42.46 39.24 1u3g s ILE 139 CO 0.15 0.43 1.07 0.00 0.00 0.00 0.00 174.94 176.60 1u3g s ALA 140 N 0.59 -1.97 0.40 9.38 0.00 -1.02 -3.95 121.76 125.20 1u3g s ALA 140 Ca 0.04 1.41 -0.24 0.00 0.00 0.00 0.00 51.96 53.17 1u3g s ALA 140 Cb -0.13 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.81 1u3g s ALA 140 CO 0.01 -0.57 1.08 0.71 0.00 0.00 0.00 175.76 177.00 1u3g s TYR 141 N -2.40 3.20 0.54 0.00 4.12 -1.26 -4.00 117.35 117.55 1u3g s TYR 141 Ca 0.06 1.62 0.40 0.00 0.02 0.00 0.00 57.07 59.17 1u3g s TYR 141 Cb -0.01 -3.20 2.18 0.00 -1.52 0.00 0.00 41.96 39.40 1u3g s TYR 141 CO -0.05 -0.84 2.23 0.66 0.02 0.00 0.00 175.55 177.56 1u3g h SER 142 N 2.52 0.00 -0.06 2.29 4.64 -1.95 -1.34 113.55 119.64 1u3g h SER 142 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1u3g h SER 142 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1u3g h SER 142 CO 0.62 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.80 1u3g n PHE 143 N -2.94 0.07 1.91 4.77 -1.74 -1.26 -3.60 117.46 114.68 1u3g n PHE 143 Ca -0.03 -0.04 0.08 0.00 -0.56 0.00 0.00 57.45 56.91 1u3g n PHE 143 Cb 0.10 0.00 0.44 0.00 1.52 0.00 0.00 39.48 41.53 1u3g n PHE 143 CO 0.00 0.00 0.00 1.04 -0.56 0.00 0.00 176.76 177.24 1u3g n GLN 144 N 0.13 1.08 -1.98 3.97 6.02 -0.51 -4.82 117.38 121.26 1u3g n GLN 144 Ca 0.18 -0.12 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 1u3g n GLN 144 Cb 0.33 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 1u3g n GLN 144 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1u3g s LYS 145 N -1.97 4.25 0.05 -1.09 2.47 -1.24 -2.34 119.74 119.87 1u3g s LYS 145 Ca 0.23 2.34 -0.11 0.00 -1.56 0.00 0.00 55.97 56.88 1u3g s LYS 145 Cb 0.11 -3.09 0.01 0.00 -1.46 0.00 0.00 37.83 33.40 1u3g s LYS 145 CO 0.18 -0.43 0.23 0.20 0.16 0.00 0.00 175.35 175.70 1u3g s GLY 146 N 0.26 -0.01 -0.46 5.54 0.00 0.11 -4.82 107.32 107.93 1u3g s GLY 146 Ca 0.58 -0.24 -0.13 0.00 0.00 0.00 0.00 44.72 44.93 1u3g s GLY 146 CO 0.46 -0.43 0.35 -0.35 0.00 0.00 0.00 173.10 173.13 1u3g s ASP 147 N -2.22 5.93 -0.08 1.64 2.15 -1.26 -3.51 116.67 119.31 1u3g s ASP 147 Ca -0.03 -1.48 -0.11 0.00 0.43 0.00 0.00 52.55 51.35 1u3g s ASP 147 Cb 0.00 -2.10 0.03 0.00 -0.30 0.00 0.00 42.92 40.55 1u3g s ASP 147 CO -0.05 -0.63 0.30 0.72 -0.17 0.00 0.00 175.17 175.34 1u3g s PHE 148 N 1.54 -0.27 0.00 -5.34 -0.71 -1.26 -0.48 117.98 111.46 1u3g s PHE 148 Ca 0.04 0.62 -0.30 0.00 -1.04 0.00 0.00 56.93 56.24 1u3g s PHE 148 Cb -0.24 0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.63 1u3g s PHE 148 CO 0.04 -0.23 1.03 -0.51 -1.34 0.00 0.00 175.22 174.21 1u3g s LEU 149 N -0.32 4.36 0.34 -1.99 1.43 -1.26 -4.85 118.68 116.39 1u3g s LEU 149 Ca -0.04 1.73 -0.26 0.00 -1.03 0.00 0.00 54.13 54.52 1u3g s LEU 149 Cb -0.03 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1u3g s LEU 149 CO 0.01 -0.32 1.02 0.00 0.23 0.00 0.00 176.35 177.29 1u3g s ALA 150 N 1.12 3.21 0.48 4.21 0.00 -1.26 -4.95 121.76 124.58 1u3g s ALA 150 Ca 0.53 0.68 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 1u3g s ALA 150 Cb -0.23 -3.25 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1u3g s ALA 150 CO 0.27 -0.04 0.76 -0.51 0.00 0.00 0.00 175.76 176.25 1u3g s ASP 151 N -1.40 6.04 0.58 0.00 1.01 -1.26 -4.97 116.67 116.66 1u3g s ASP 151 Ca 0.51 0.71 0.28 0.00 0.71 0.00 0.00 52.55 54.76 1u3g s ASP 151 Cb -0.23 -1.98 1.62 0.00 1.01 0.00 0.00 42.92 43.34 1u3g s ASP 151 CO 0.30 -0.68 2.11 1.55 0.21 0.00 0.00 175.17 178.66 1u3g h PRO 152 N 0.23 0.00 0.00 8.23 0.13 -2.06 -1.77 132.00 136.75 1u3g h PRO 152 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1u3g h PRO 152 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1u3g h PRO 152 CO 0.61 0.00 -0.34 -2.67 -0.23 0.00 0.00 178.00 175.36 1u3g n TRP 153 N -3.91 0.20 -2.06 1.56 2.14 -1.26 -4.91 117.44 109.20 1u3g n TRP 153 Ca 0.02 0.06 -0.42 0.00 2.07 0.00 0.00 57.50 59.23 1u3g n TRP 153 Cb 0.31 -0.47 -0.03 0.00 -0.81 0.00 0.00 31.31 30.32 1u3g n TRP 153 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1u3g s ASP 154 N -3.39 6.72 -0.04 -0.67 1.01 -0.67 -4.83 116.67 114.80 1u3g s ASP 154 Ca 0.11 2.52 -0.22 0.00 0.71 0.00 0.00 52.55 55.67 1u3g s ASP 154 Cb 0.17 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 1u3g s ASP 154 CO 0.65 -0.70 0.64 -0.69 0.21 0.00 0.00 175.17 175.28 1u3g s VAL 155 N 0.63 4.98 -0.07 -1.27 1.01 -1.26 -4.93 120.40 119.48 1u3g s VAL 155 Ca 0.63 1.34 -0.25 0.00 0.00 0.00 0.00 61.98 63.70 1u3g s VAL 155 Cb -0.40 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1u3g s VAL 155 CO 0.36 0.33 0.77 -1.58 0.00 0.00 0.00 175.10 174.98 1u3g s GLN 156 N 0.32 4.43 0.24 2.72 0.74 -1.26 -3.90 119.66 122.96 1u3g s GLN 156 Ca 0.34 1.00 -0.24 0.00 0.05 0.00 0.00 55.36 56.50 1u3g s GLN 156 Cb -0.18 -3.47 -0.09 0.00 1.10 0.00 0.00 33.01 30.37 1u3g s GLN 156 CO 0.17 -0.03 0.83 -0.51 -0.55 0.00 0.00 175.29 175.21 1u3g s LEU 157 N 1.08 4.44 0.14 3.68 1.43 0.16 -4.98 118.68 124.63 1u3g s LEU 157 Ca 0.40 1.67 -0.08 0.00 -1.03 0.00 0.00 54.13 55.09 1u3g s LEU 157 Cb -0.18 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1u3g s LEU 157 CO 0.19 0.06 1.40 0.44 0.23 0.00 0.00 176.35 178.66 1u3g h ASP 158 N 3.64 0.79 -4.93 2.29 3.32 -1.33 -3.45 116.42 116.75 1u3g h ASP 158 Ca -0.47 -0.48 -0.13 0.00 0.02 0.00 0.00 57.03 55.97 1u3g h ASP 158 Cb 1.20 -0.23 -0.21 0.00 0.22 0.00 0.00 39.33 40.31 1u3g h ASP 158 CO 0.66 1.25 -0.40 -0.22 -1.72 0.00 0.00 179.24 178.81 1u3g s LEU 159 N -8.37 1.24 -0.40 1.55 2.96 -1.20 -5.04 118.68 109.42 1u3g s LEU 159 Ca -0.09 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1u3g s LEU 159 Cb 0.10 0.93 0.12 0.00 0.50 0.00 0.00 46.19 47.83 1u3g s LEU 159 CO 0.88 -0.39 0.15 -0.63 -1.32 0.00 0.00 176.35 175.04 1u3g s ILE 160 N -1.30 1.81 -0.18 6.68 -1.09 -1.26 -0.45 121.20 125.41 1u3g s ILE 160 Ca -0.14 -2.40 -0.29 0.00 -2.23 0.00 0.00 60.65 55.59 1u3g s ILE 160 Cb -0.06 -2.30 -0.00 0.00 -1.58 0.00 0.00 42.46 38.51 1u3g s ILE 160 CO 0.03 -0.74 1.08 -0.63 -1.23 0.00 0.00 174.94 173.45 1u3g s ILE 161 N 0.66 4.61 0.23 2.92 1.01 -0.55 -4.97 121.20 125.12 1u3g s ILE 161 Ca 0.14 1.93 0.02 0.00 0.00 0.00 0.00 60.65 62.74 1u3g s ILE 161 Cb -0.22 -4.24 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 1u3g s ILE 161 CO -0.08 -0.12 0.26 -0.46 0.00 0.00 0.00 174.94 174.54 1u3g n ASN 162 N 6.00 -0.70 0.22 3.58 0.23 -1.26 -2.43 115.26 120.90 1u3g n ASN 162 Ca 0.11 -2.41 0.10 0.00 -0.53 0.00 0.00 54.58 51.86 1u3g n ASN 162 Cb 0.46 1.43 0.43 0.00 -2.08 0.00 0.00 39.78 40.03 1u3g n ASN 162 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1u3g h ASP 163 N 1.38 0.00 0.00 0.53 3.04 -1.87 -3.45 116.42 116.05 1u3g h ASP 163 Ca -0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 1u3g h ASP 163 Cb 0.82 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.11 1u3g h ASP 163 CO 0.24 0.22 0.00 -0.62 -2.04 0.00 0.00 179.24 177.04